![[(4-Methoxybenzyl)sulfanyl]acetic acid](/api/spectrum/JZca4Rw4OCK/structure.png?h=300&w=458 "[(4-Methoxybenzyl)sulfanyl]acetic acid")
| SpectraBase Compound ID | Czl7X416Liq |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-13-9-4-2-8(3-5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | SDNBUZXAGNJNBL-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZca4Rw4OCK |
|---|---|
| Name | [(4-Methoxybenzyl)sulfanyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c1-13-9-4-2-8(3-5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | SDNBUZXAGNJNBL-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C(SCC(=O)O)C1=CC=C(C=C1)OC |